SCHEMBL10332220

SCHEMBL10332220

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N)C(=O)OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 1/20 0.44
▸ P2RY6 Q15077 2/20 0.42
▸ P2RY14 Q15391 2/20 0.42
▸ NT5E P21589 1/20 0.42
▸ TSHR P16473 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ HBB P68871 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HINT1 P49773 1/20 0.37
▸ IARS1 P41252 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10332223 1.00 TYMS (0.44) TYMSP2RY6P2RY14NT5ETSHR
Hydrochloric Acid SCHEMBL9638037 0.99 TYMS (0.44) TYMSP2RY6P2RY14NT5ETSHR
Hydrochloric Acid SCHEMBL9638046 0.99 TYMS (0.44) TYMSP2RY6P2RY14NT5ETSHR
SCHEMBL10332496 0.92 P2RY6 (0.44) TYMSP2RY6P2RY14NT5ETSHR
SCHEMBL10332498 0.92 P2RY6 (0.44) TYMSP2RY6P2RY14NT5ETSHR
SCHEMBL9637000 0.91 TYMS (0.44) TYMSP2RY6P2RY14NT5E
SCHEMBL9636996 0.91 TYMS (0.44) TYMSP2RY6P2RY14NT5E
Hydrochloric Acid SCHEMBL9638086 0.91 P2RY6 (0.44) TYMSP2RY6P2RY14NT5ETSHR
Hydrochloric Acid SCHEMBL9638091 0.91 P2RY6 (0.44) TYMSP2RY6P2RY14NT5ETSHR
SCHEMBL10332276 0.91 P2RY6 (0.50) P2RY6P2RY14NT5ETSHRLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4892939-A ANTITUMOR, ANTIVIRAL AND IMMUNOSUPRESSIVE AGENTS FUJI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-01-09 — — US claimed
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